1-[2-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-4-piperidin-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[2-[[6-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[[6-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[[6-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-pyrimidin-2-yl]thio]acetyl]-4-piperidino-isonipecotamide Formula: C24H30ClN5O3S2 MolecularWeight: 536.1097

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2(CCN(CC2)C(=O)CSC3=NC(=O)C=C(N3)CSC4=CC=C(C=C4)Cl)C(=O)N

InChI

InChI=1S/C24H30ClN5O3S2/c25-17-4-6-19(7-5-17)34-15-18-14-20(31)28-23(27-18)35-16-21(32)29-12-8-24(9-13-29,22(26)33)30-10-2-1-3-11-30/h4-7,14H,1-3,8-13,15-16H2,(H2,26,33)(H,27,28,31)